MMsINC Database Search


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MMsINC code: MMs02991273

Type: Neutral
Formula: C₂₂H₂₆N₂O₃

SMILES:

OC(=O)C1(N(C(=O)C)c2ccccc2)CCN(CC1)CCc1ccccc1

InChI:

InChI=1/C22H26N2O3/c1-18(25)24(20-10-6-3-7-11-20)22(21(26)27)13-16-23(17-14-22)15-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.226 kcal/mol

Physical Properties
Molecular Weight: 366.461 g/mol	logS: -3.76382	SlogP: 3.20137	Reactive groups: 0

Topological Properties
Globularity: 0.138483	Sterimol/B1: 2.33118	Sterimol/B2: 3.38419	Sterimol/B3: 5.88368
Sterimol/B4: 6.28889	Sterimol/L: 17.241

Surface and Volume Properties
Accessible surface: 613.156	Positive charged surface: 377.783	Negative charged surface: 235.373	Volume: 362.875
Hydrophobic surface: 521.807	Hydrophilic surface: 91.349

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.